N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide

C18H22FN5OS — CID 123717157

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide (PubChem CID 123717157) has the molecular formula C18H22FN5OS and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide
• PubChem CID: 123717157
• Molecular Formula: C18H22FN5OS
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.15
• IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide
• SMILES: O=C(Cc1cccc(N2CC(F)C2)n1)Nc1nnc(C2CCCCC2)s1
• InChI: InChI=1S/C18H22FN5OS/c19-13-10-24(11-13)15-8-4-7-14(20-15)9-16(25)21-18-23-22-17(26-18)12-5-2-1-3-6-12/h4,7-8,12-13H,1-3,5-6,9-11H2,(H,21,23,25)
• InChIKey: RTMOHHPCPKTNAW-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide?

The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide (CID 123717157) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide?

The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide is O=C(Cc1cccc(N2CC(F)C2)n1)Nc1nnc(C2CCCCC2)s1.

What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide?

The InChIKey is RTMOHHPCPKTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5OS/c19-13-10-24(11-13)15-8-4-7-14(20-15)9-16(25)21-18-23-22-17(26-18)12-5-2-1-3-6-12/h4,7-8,12-13H,1-3,5-6,9-11H2,(H,21,23,25).

What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide?

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 123717157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).